N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine

C15H18N2S — CID 62189614

IUPACN-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine
SMILESCCNc1ccc(CSc2ccc(C)cc2)cn1
InChIInChI=1S/C15H18N2S/c1-3-16-15-9-6-13(10-17-15)11-18-14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3,(H,16,17)
InChIKeyLJKCZZZZSHOUOS-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.11
Rot. Bonds5

About N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine

N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62189614) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine
PubChem CID62189614
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine
SMILESCCNc1ccc(CSc2ccc(C)cc2)cn1
InChIInChI=1S/C15H18N2S/c1-3-16-15-9-6-13(10-17-15)11-18-14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3,(H,16,17)
InChIKeyLJKCZZZZSHOUOS-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine (CID 62189614) is N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine is CCNc1ccc(CSc2ccc(C)cc2)cn1.
What is the InChIKey of N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is LJKCZZZZSHOUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-3-16-15-9-6-13(10-17-15)11-18-14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine?
N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 258.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62189614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).